6-Heptenoic acid,7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)
- Iupac Name:calcium;dichloride
- CAS No.: 10043-52-4
- Molecular Weight:110.984
- Modify Date.: 2022-03-10 11:30
1. Names and Identifiers
- 1.1 Name
- 6-Heptenoic acid,7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)
- 1.2 Synonyms
6-Heptenoicacid, 7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,monosodium salt (9CI)
- 1.3 CAS No.
- 10043-52-4
- 1.4 CID
- 5284359
- 1.5 Molecular Formula
- C16H18BrNO2 (isomer)
- 1.6 Inchi
- InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
- 1.7 InChkey
- UXVMQQNJUSDDNG-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- [Cl-].[Cl-].[Ca+2]
- 1.9 Isomers Smiles
- [Cl-].[Cl-].[Ca+2]
2. Properties
- 3.1 Density
- 1.92
- 3.1 Melting point
- 782℃
- 3.1 Boiling point
- 429.9±45.0 °C at 760 mmHg (Predicted)
- 3.1 Refractive index
- n20/D 1.358
- 3.1 Vapour pressure
- 0.01 mm Hg ( 20 °C)
- 3.1 Precise Quality
- 109.90000
- 3.1 PSA
- 0.00000
- 3.1 logP
- 1.37900
3. Safety and Handling
- 4.1 Symbol
- GHS07;
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36
- 4.1 Safety Statements
- S22;S24
- 4.1 Hazard Declaration
- H319
- 4.1 RIDADR
- UN 1789 8/PG 3
- 4.1 Caution Statement
- P305 + P351 + P338
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- EV9810000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Warning |
Hazard statement(s) | H319 Causes serious eye irritation |
Precautionary statement(s) | |
Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 110.984g/mol
- Molecular Formula: C16H18BrNO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 109.9002962
- Monoisotopic Mass: 109.9002962
- Complexity: 0
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 0
- Heavy Atom Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADcQAAAAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
-
My book says that the enthalpy of solution of anhydrous calcium chloride is negative because it produces hydrated calcium chloride. But when hydrated calcium chloride is dissolved in water, the enthalpy turns out to be positive because it is already hydrated. What I don't understand here is: if it ...
-
Given: mass of CaCl2= 5g; molar mass of CaCl2 = 110g/mole Solution: number of mole= Mass of CaCl2 /molar mass CaCl2 number of mole = 5g CaCl2/110g-mole = 0.045 mole CaCl2
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The easiest way to approach this problem is to separate this salt into its ionic constituent when solvated. This will yield Ca +2 ion and Cl- ion. Now, ask your self, where do these ions originate from in terms of acids and bases? Well, we know cations from group 1 and 2 on the periodic table form ...
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Calcium chloride is deliquescent. If exposed to air, it will absorb sufficient water from the air to allow it to dissolve. After a short while, instead of a white lump, you will have a pool of clear liquid.
8. Realated Product Infomation
-
121661-29-8
6-Heptenoic acid,3,5-dihydroxy-7-[2-(1-methylethyl)-4-[4-(trifluoromethyl)phenyl]-3-quinolinyl]-,sodium salt (1:1)
-
121661-30-1
6-Heptenoic acid,7-[4-(4-fluoro-3-methylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)
-
121661-28-7
6-Heptenoic acid,7-[6-chloro-4-(2-chlorophenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)
-
727646-48-2
6-Heptenoic acid, 7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-
-
121661-35-6
6-Heptenoic acid,7-(6-chloro-2,4-diphenyl-3-quinolinyl)-3,5-dihydroxy-, sodium salt (1:1)
-
121661-32-3
6-Heptenoic acid,7-[2-ethyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, sodium salt (1:1)
-
118175-21-6
6-Heptenoic acid,7-[4-(4-fluorophenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,monosodium salt, (3R,5S,6E)-rel-